SCHEMBL4386400

SCHEMBL4386400

[CH2]C(OC=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.39
GLS O94925 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SRC P12931 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9212503 0.78 CYP3A4 (0.39) KDM4EL3MBTL1ALDH1A1CYP2C19CTSD
SCHEMBL9210430 0.77 CFTR (0.44) CYP2D6KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL3955535 0.76 CYP2D6 (0.42) KMT2ACYP2D6GLSKDM4EL3MBTL1
SCHEMBL858 0.76 CYP2D6 (0.42) KMT2ACYP2D6KDM4ESRCLMNA
SCHEMBL11386357 0.75 CYP2D6 (0.34) KMT2ACYP2D6GLSCYP2C19LMNA
SCHEMBL5517002 0.74 CYP2D6 (0.41) KMT2ACYP2D6GLSALDH1A1SRC
Hydrochloric Acid SCHEMBL10708013 0.74 HTT (0.44) KMT2ACYP2D6KDM4ELMNAMAPK1
SCHEMBL11211725 0.74 CYP2D6 (0.37) KMT2ACYP2D6GLSKDM4EALDH1A1
SCHEMBL959684 0.73 DPP4 (0.44) KMT2ACYP2D6GLSDPP4F2
SCHEMBL1156574 0.73 TSHR (0.44) KMT2ACYP2D6GLSALDH1A1SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125960-A1 TRANSPARENT COLOURANTS AND COLOURANT COMPOSITIONS, AND THEIR USE BASF SE (DE) 2009-12-02 EP disclosed
EP-2115073-A2 BLUE PHTHALOCYANINE PIGMENT COMPOSITION AND ITS PREPARATION Ciba Holding Inc. (CH) 2009-11-11 EP disclosed
EP-1984457-A2 BLUE COLOUR FILTERS WITH ENHANCED CONTRAST Ciba Holding Inc. (CH) 2008-10-29 EP disclosed
WO-2008101841-A1 TRANSPARENT COLOURANTS AND COLOURANT COMPOSITIONS, AND THEIR USE BASF SE (CH) 2008-08-28 WO disclosed
WO-2008095801-A2 BLUE PHTHALOCYANINE PIGMENT COMPOSITION AND ITS PREPARATION CIBA HOLDING INC. (CH) 2008-08-14 WO disclosed
WO-2007093536-A2 BLUE COLOUR FILTERS WITH ENHANCED CONTRAST CIBA HOLDING INC. (CH) 2007-08-23 WO disclosed